Alumni

1) Mohammad Keshavarz (Physical Chemistry), Study of the adsorption of proteins on patterned surfaces using computer simulations, 2021.

2) Elham Moharramzadeh Goliaei (Physical Chmistry): Study of the electronic properties of nanocatalysts containing cobalt, manganese and silver, 2017.

3) Maryam Soleymani (Physical Chemistry): Spintronic study of organic topological insulators, 2017.

4) Mina Madah (Physical Chemistry): Study of the interaction of anti-cancer drugs with DNA using molecular dynamics simulation, 2016.

5) Marzieh Saeedi (Physical Chemistry): Study of the drug delivery process in nanocarriers using molecular dynamics simulations, 2016.

6) Nader Sakhaee (Organic Chemistry): Study of weak interactions in some molecules using quantum mechanical methods, 2016.

7) Fatemeh Houshmand (Physical Chmiestry): Study of carbon-based nanostructures with high efficiency in nano-optoelectronic devices using quantum mechanical methods, 2016.

8) Sholeh Alaei (Physics): Structural, electronic and magnetic properties of various nanosystems: Molecular dynamics simulations and density functional theory calculations (METU, Turkey), 2014.

9) Shirin Jamshidi (Medical Nanotechnology): A study of interaction of enzyme with its inhibitory compounds by molecular dynamics (MD) simulations approach, 2013.

10) Farzad Molani (Physical Chemistry): Study of nano-semiconductors using computational methods, 2013.

11) Razieh Habibpour (Physical Chemistry): Study Au nano-catalysts’ electronic properties and effect of Pt, Cu and Fe metals on their catalytic activity using quantum mechanics methods, 2013.

12) Maryam Jamali (Physical Chemistry): Study of electronic properties of functionalized carbon nanotubes, 2012.

13) Leila Karami (Physical Chemistry): Study of interaction of proline-rich homeodomain (PRH) with DNA using molecular dynamics, 2012.

14) Afsaneh Maleki (Physical Chemistry): Molecular dynamics simulations of biological molecules on surfaces and in membranes: Adsorption and pattern formation of DNA bases on the Au (111) surface and the amyline peptide in the dioleoylphosphatidylcholine bilayer membrane, 2012.

15) Rayhaneh Ashrafi (Physics): Electron transport in molecular nano wires, 2010.

16) Raheleh Vaziri (Physical Chemistry): Study of the electronic properties of boron-nitrogen nanoribbons and nanotubes using computational methods, 2010.

17) Mojdeh Akhavan (Physical Chemistry): Study of conformational changes and aggregation of the amyloid beta peptide using computer simulations, 2009.

18) Arezou Jaberi (Physical Chemistry): Study of lithium halides and carbon nanotubes properties using quantum mechanics methods and computer simulations, 2009.

19) Amin Vaez (physics): Effects of defects in single-walled carbon nanotubes, 2009.

20) Abdolhakim Pangh (Physical Chemistry): Study of molecule-electrode nano contacts in molecular electronics, 2009.

21) Reza Alizadeh (Environmental Engineering), The design and simulation of a hydrogen storage model in FeTi nanoparticles, 2008.

22) Mohsen Gharanfoli (Biophysics): The structural and functional studies on RNase A upon effects of ions properties and ionic strengths, 2005.

1) Eghbal Omari (Physical Chemistry): Study of the Peptide Nucleic Acid (PNA)-RNA interactions using molecular dynamics simulation, 2022.

2) Fatemeh Salari (Physical Chemistry): Computational design of aptamer-based biosensors for the detection of small molecule toxins, 2022.

3) Sanaz Pashaee (Physical Chemistry): Study of branched-DNA structures using molecular dynamics simulation, 2021.

4) Meisam Karimi (Physical Chemistry): Molecular dynamics simulation of water transport through charged carbon nanotubes in an electric field, 2021.

5) Asma Mousavi (Physical Chemistry): Study of the effect of backbone alteration on three-dimensional structure of peptides using molecular dynamics simulation, 2020.

6) Mohammad Chitsaz (Physical Chemistry): Study of the distribution of acetaminophen pro-drugs between organic and water phases using molecular dynamics simulation, 2020.

7) Marzieh Rahimi (Physical Chemistry): Study of the interaction of aptamers with environmental pollutants using molecular dynamics simulations with a coarse-grained force field, 2020.

8) Tara Ashoori (Physical Chemistry): New challenges in quantum biology, 2019.

9) Abbas Kebriaiee (Physical Chemistry): Molecular dynamics simulation of the structure of polylysine and polyarginine peptides in membrane-mimicking environments, 2019.

10) Negar Mahdizadeh (Physical Chemistry): Investigation of the peptides stabilized by the hydrogen bond surrogates using molecular dynamics simulations, 2019.

11) Roja Rahmani (Physical Chemistry): Study of the interaction of ZnS nanosheets and nanotubes with amino acids using computer modeling, 2018.

12) Mehdi Shakerinejad (Physical Chemistry): Study of the interaction of β-amyloid peptide with drugs using molecular dynamics simulation, 2018.

13) Negar Habibzadeh (Physical Chemistry): Study of γ-AA peptide conformations in solution using molecular dynamics simulation, 2018.

14) Reyhaneh Shariatpanahi (Physical Chemistry): Molecular dynamics simulation study of ortho-phenylene foldamers, 2018.

15) Davod Fallahi (Physical Chemistry): Effect of point defects on electronic properties of BeN2 nanosheets, 2017.

16) Ali Sabaghi (Physical Chemistry): Study of nitrogen-doped graphene nanoribbons using quantum mechanical methods, 2017.

17) Atena Pakzadiyan (Physical Chemistry): Modeling of the effect of trifluoroethanol on the structure of α-synuclein peptide, 2017.

18) Sepideh Taghikhani (Physical Chemistry): Study of phagraphene nanotubes using quantum mechanics methods, 2016.

19) Foruzan Khoareh (Physical Chemistry): Study of lasso peptide structures using molecular dynamics simulation, 2016.

20) Sepideh Momeni (Physical Chemistry): Study of the structure of peptide nucleic acids using molecular dynamics simulation, 2016.

21) Ali Shabani (Physical Chemistry): DFT study of the interaction of lithium ion with BSi3 nanotubes, 2015.

22) Bahareh Meftahi (Physical Chemistry): Study of ligand binding site selection in riboswitch using molecular dynamics simulations, 2015.

23) Zahra Kavianfar (Physical Chemistry): Study of the effect of transition metal adsorption on electronic properties of biphenylene-based nanosheets, 2015.

24) Hava Hashemi (Physical Chemistry): Molecular dynamics simulation of a micelle-entrapped proton transfer probe, 2015.

25) Nazli Kashani Javid (Physical Chemistry): Study of the thermodynamic properties of fluorinated proteins using molecular dynamics simulations, 2015.

26) Ali Rajabi (Physical Chemistry): Study of functionalization of molecular wires using quantum mechanical calculations, 2015.

27) Zahra Amini (Solid State Physics): Simulation of biostructures: Study of the three-dimensional structure and folding of beta endorphin protein, 2014.

28) Maryam Haji (Physical Chemistry): Effect of biostructures on thermal properties of single-walled and multi-walled carbon nanotubes, 2014.

29) Elham Gholamrezaee (Physical Chemistry): Study of the effect of gas adsorption on bilayer graphene, 2014.

30) Behnaz Abdolmaleki (Physical Chemistry): Investigation of the interaction of apoferritin nanoparticle with cancer cells using computational methods, 2014.

31) Mohammadreza Hosseini (Physical Chemistry): Study of magnetic and electronic properties of hydrogenated graphenes, 2014.

32) Mahnaz Maleki (Physical Chemistry): Study of the electronic and structural properties of functionalized silicate nanoparticles, 2014.

33) Nastaran Askari (Physical Chemistry): Study of the electronic properties of halogenated graphenes, 2014.

34) Zahra Amani (Physical Chemistry): Study of electronic properties of SiC nanoribbons using computational methods, 2014.

35) Hossein Haji (Physical Chemistry): Study of the interaction of proteins with carbon nanotubes, 2014.

36) Hadi Rajaeefar (Physical Chemistry): Study of electronic properties of SiC nanotubes, 2013.

37) Maryam Ebadi (Physical Chemistry): Study of interaction of Fe atom with graphene using quantum mechanical methods, 2013.

38) Parisa Amani (Physical Chemistry): Study of three-dimensional structure of neurotransmitters, 2013.

39) Elaheh Hoseinzadeh (Physical Chemistry): Study of the reactivity of Stone-Wales defects in BC3 nanotubes, 2013.

40) Zahra Fakhrpoor (Physical Chemistry): Study of stability and thermodynamic properties of carbon nanostructures under critical physical conditions, 2013.

41) Banafsheh Mehrazma (Physical Chemistry): Study of DNA repair by molecular dynamics simulations, 2012.

42) Fatemeh Sadat Alavi (Physical Chemistry): Study of electronic properties of selenium nanowires using quantum mechanics methods, 2012.

43) Maryam Soleymani (Physical Chemistry): Study of the electrical conduction in molecules using quantum mechanics methods, 2012.

44) Mina Madah (Physical Chemistry), Study of gas adsorption on BCN graphene sheets using molecular dynamics simulations, 2011.

45) Maryam Nayebzadeh (Physical Chemistry), The study of interaction between small molecules and graphene sheets, 2011.

46) Mehrnoosh Hazrati (Physical Chemistry), Study of the electronic properties of BCN graphene sheets, 2011.

47) Reza Dehghanpour Mamaghani (Physical Chemistry), Molecular dynamics simulation of thermodynamic properties of gold nanoclusters, 2010.

48) Nasibeh Alizadeh (Physical Chemistry), Study of silane, methane and ammonia gasses adsorption on carbon nanotubes using computational methods, 2010.

49) Akram Gorji (Physical Chemistry), Molecular dynamics simulation of H2 and CO2 adsorption in bare and functionalized double-walled carbon nanotubes, 2010.

50) Abolghasem Vahidi Ferdowsi (Physical Chemistry), Study of hydrogen gas adsorption on nitrogen-doped graphene sheets using molecular dynamics simulation method, 2010.

51) Zahra Zargar (Physical Chemistry), Quantum mechanical study of molecular clusters, 2010.

52) Cobra Mochani (Physical Chemistry), Study of the effect of gaseous atmosphere on graphite-supported copper clusters using molecular dynamics simulations, 2010.

53) Hengameh Fallah (Physical Chemistry), Study of the hydrogen bonds in DNA base pairs, 2010.

54) Bahar Kharazian (Physical Chemistry), Application of quantum Monte Carlo method to solve the Schrodinger’s equation, 2009.

55) Hamid Reza Shirkhani (Physical Chemistry), Study of metal clusters using quantum mechanics methods, 2009.

56) Masoomeh Sadraee (Physical Chemistry), Study of hydrogen bonding in nitrile-water and nitrile-methanol complexes using quantum mechanics methods, 2009.

57) Farangis Mansoori (Physical Chemistry), Study of tryptophan cage protein folding using molecular dynamics simulation, 2009.

58) Reza Shidpour (Nanotechnology), Structural studies of MoS2 catalytic nanoclusters, 2008.

59) Zohreh Moeinpour (Physical Chemistry), Modeling of the reaction of oxidative coupling of methane on Mn/Na2WO4/SiO2 catalyst, 2008.

60) Somayyeh Ghasemlou (Physical Chemistry), Study of CO and O2 adsorption on gold nanoclusters, 2008.

61) Shafi Keyvan (Physical Chemistry), Study of methane oxidation by methyl proxy radical and reaction of this radical with ozone molecule, 2008.

62) Farzad Molani (Physical Chemistry), Study of amines and amino acids aggregation in aqueous and non-aqueous phase using molecular dynamics simulation, 2008.

63) Leila Jamshidi (Physical Chemistry), Excited state study of small molecules using quantum mechanics methods, 2008.

64) Ali Sharifi (Physical Chemistry), Study of Carbon nanotubes solvation in aqueous and organic solvents, 2007.

65) Masoumeh Nosrati (Physical Chemistry), Study of the electronics properties of functionalized carbon nanotubes using quantum mechanics methods, 2007.

66) Laya Sabouhi (Physical Chemistry), The investigation of copper nano cluster electronic properties, 2007.

67) Mehraneh Tirandari (Physics), Study of electronic and optical properties of Si1-xGexO2 nanostructures, 2007.

68) Leila Molaei (Physics), Study of structural properties and thermal conductivity of Ni nanoparticles, 2007.

69) Fatemeh Dodangeh (Physical Chemistry): Study of simultaneous intramolecular and intermolecular hydrogen bonds, 2007.

70) Razieh Atarod (Physical Chemistry): Study of electronic properties of the Ca-doped MgO nanocrystals, 2007.

71) Hasti Aghdas Tinat (Physical Chemistry): Study of structural and electronic properties of dihydroxyacetone and its association in water, 2006.

72) Tahereh Ramezani (Physical Chemistry): Study of the kinetics of lanthanum ion interaction with chain alcohols, 2006.

73) Hajar Yazdaneshenas (Physical Chemistry): Study of proton transfer in aniline-HCl complex in presence of one catalyst molecule using computational methods, 2006.

74) Abas Sajadi (Physics): Study of electronic properties of carbon nanotubes under electric field, 2006.

75) Jafar Habibian (Physics): Effects of boron and nitrogen on electronic properties of carbon nanotube, 2006.

76) Mahdieh Bamdad (Physical Chemistry): Study of interaction of metal ions (Zn2+, Fe2+) with proteins using quantum mechanical methods, 2006.

77) Leila Nakhshab (Physical Chemistry): Conformational effects on electron transport through molecular wires, 2006.

78) Roya Majidi (Physics): The study of gas adsorption on carbon nanotubes using molecular dynamics simulations and quantum mechanics calculations, 2005.

79) Mina Soleimani (Physical Chemistry): Proton transfer between carbon acids and bases, 2005.

80) Leila Yazdi (Physical Chemistry): The study of tryptophan cage protein folding using molecular dynamics simulation, 2005.

81) Sam Azadi (Physics): Study of electronic properties of gold clusters using quantum mechanics, 2005.

82) Mojdeh Akhavan (Physical Chemistry): The study of inhibition of ADA enzyme using molecular dynamics simulations, 2005.

83) Fereshteh Moradi (Physical Chemistry): Study of molecular wires conductance properties using quantum mechanical calculations, 2004.

84) Arezou Jaberi (Physical Chemistry): The application of artificial neural networks in metals corrosion prediction, 2004.

85) Ebrahim Azar Hazin (Physical Chemistry): Study of competitive counter ion binding in polyelectrolyte solution using Monte Carlo simulations, 2003.
 

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